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Theoretical study on the polymer translocation into an attractive sphere

机译:聚合物易位成吸引球体的理论研究

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We report a non-sampling model, combining the blob method with the standard lattice-based approximation, to calculate the free energy for the polymer translocation into an attractive sphere (i.e., spherical confined trans side) through a small pore. The translocation time is then calculated by the Fokker-Planck equation based on the free energy profile. There is a competition between the confinement effect of the sphere and the polymer-sphere attraction. The translocation time is increased due to the confinement effect of the sphere, whereas it is reduced by the polymer-sphere attraction. The two effects offset each other at a special polymer-sphere attraction which is dependent on the sphere size, the polymer length, and the driving force. Moreover, the entire translocation process can be divided into an uncrowded stage where the polymer does not experience the confinement effect of the sphere and a crowded stage where the polymer is confined by the sphere. At the critical sphere radius, the durations of the two (uncrowded and crowded) stages are the same. The critical sphere radius R* has a scaling relation with the polymer length N as R* similar to N-beta. The calculation results show that the current model can effectively treat the translocation of a three-dimensional self-avoiding polymer into the spherical confined trans side. Published by AIP Publishing.
机译:我们报告了一种非采样模型,将BLOB方法与基于标准晶格的近似相结合,以通过小孔径计算聚合物易位的自由能量(即球形狭窄的反式侧)。然后通过基于自由能谱的Fokker-Planck方程计算易位时间。球体的限制效果与聚合物 - 球形吸引力之间存在竞争。由于球体的限制效果,易位时间增加,而通过聚合物 - 球形吸引力降低。在特殊的聚合物 - 球形景点上彼此偏移的两个效果取决于球形尺寸,聚合物长度和驱动力。此外,整个易位过程可以分为未充裕的阶段,其中聚合物不经历球体的限制效果和聚合物被球体限制的拥挤阶段。在临界球半径处,两个(未充裕和拥挤)阶段的持续时间相同。临界球半径R *与与N-β类似的聚合物长度n具有缩放关系。计算结果表明,目前模型可以有效地将三维自避光聚合物的易位迁移到球形紧孔跨度中。通过AIP发布发布。

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